9H-fluoren-9-ylmethyl 7-(quinoline-8-carbonyl)-3-oxa-9-azabicyclo[3.3.1]nonane-9-carboxylate

C32H28N2O4 — CID 171942022

IUPAC9H-fluoren-9-ylmethyl 7-(quinoline-8-carbonyl)-3-oxa-9-azabicyclo[3.3.1]nonane-9-carboxylate
SMILESO=C(c1cccc2cccnc12)C1CC2COCC(C1)N2C(=O)OCC1c2ccccc2-c2ccccc21
InChIInChI=1S/C32H28N2O4/c35-31(28-13-5-7-20-8-6-14-33-30(20)28)21-15-22-17-37-18-23(16-21)34(22)32(36)38-19-29-26-11-3-1-9-24(26)25-10-2-4-12-27(25)29/h1-14,21-23,29H,15-19H2
InChIKeyGBVABNWLUORVSO-UHFFFAOYSA-N
MW504.59 g/mol
LogP5.85
Rot. Bonds4

About 9H-fluoren-9-ylmethyl 7-(quinoline-8-carbonyl)-3-oxa-9-azabicyclo[3.3.1]nonane-9-carboxylate

9H-fluoren-9-ylmethyl 7-(quinoline-8-carbonyl)-3-oxa-9-azabicyclo[3.3.1]nonane-9-carboxylate (PubChem CID 171942022) has the molecular formula C32H28N2O4 and a molecular weight of 504.59 g/mol. Its IUPAC name is 9H-fluoren-9-ylmethyl 7-(quinoline-8-carbonyl)-3-oxa-9-azabicyclo[3.3.1]nonane-9-carboxylate.

Molecular Properties

Compound Name9H-fluoren-9-ylmethyl 7-(quinoline-8-carbonyl)-3-oxa-9-azabicyclo[3.3.1]nonane-9-carboxylate
PubChem CID171942022
Molecular FormulaC32H28N2O4
Molecular Weight504.59 g/mol
Exact Mass504.20
IUPAC Name9H-fluoren-9-ylmethyl 7-(quinoline-8-carbonyl)-3-oxa-9-azabicyclo[3.3.1]nonane-9-carboxylate
SMILESO=C(c1cccc2cccnc12)C1CC2COCC(C1)N2C(=O)OCC1c2ccccc2-c2ccccc21
InChIInChI=1S/C32H28N2O4/c35-31(28-13-5-7-20-8-6-14-33-30(20)28)21-15-22-17-37-18-23(16-21)34(22)32(36)38-19-29-26-11-3-1-9-24(26)25-10-2-4-12-27(25)29/h1-14,21-23,29H,15-19H2
InChIKeyGBVABNWLUORVSO-UHFFFAOYSA-N
XLogP5.85
TPSA68.73 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500504.59
LogP ≤ 55.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 9H-fluoren-9-ylmethyl 7-(quinoline-8-carbonyl)-3-oxa-9-azabicyclo[3.3.1]nonane-9-carboxylate with MolForge

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Related Compounds

9H-fluoren-9-ylmethyl 7-(2-methylpyridine-3-carbonyl)-3-oxa-9-azabicyclo[3.3.1]nonane-9-carboxylate
CID 171950401
9H-fluoren-9-ylmethyl 3-(8-methylquinoline-7-carbonyl)-8-azabicyclo[3.2.1]octane-8-carboxylate
CID 171948562
9H-fluoren-9-ylmethyl 7-[2-(dimethylamino)benzoyl]-3-oxa-9-azabicyclo[3.3.1]nonane-9-carboxylate
CID 171946505
9H-fluoren-9-ylmethyl 7-(pyrazine-2-carbonyl)-3-oxa-9-azabicyclo[3.3.1]nonane-9-carboxylate
CID 171937499
9H-fluoren-9-ylmethyl 7-(4-methoxy-2,5-dimethylbenzoyl)-3-oxa-9-azabicyclo[3.3.1]nonane-9-carboxylate
CID 171940716
9-O-(9H-fluoren-9-ylmethyl) 7-O-methyl 3-oxa-9-azabicyclo[3.3.1]nonane-7,9-dicarboxylate
CID 171936324
9H-fluoren-9-ylmethyl 7-(4-methylbenzoyl)-3-oxa-9-azabicyclo[3.3.1]nonane-9-carboxylate
CID 171950842
9H-fluoren-9-ylmethyl 7-(2-methylpropanoyl)-3-oxa-9-azabicyclo[3.3.1]nonane-9-carboxylate
CID 171938881
9H-fluoren-9-ylmethyl 7-(3,5-dimethylpyridine-2-carbonyl)-3-oxa-9-azabicyclo[3.3.1]nonane-9-carboxylate
CID 171943690
9H-fluoren-9-ylmethyl 7-(4-cyano-2-methylbenzoyl)-3-oxa-9-azabicyclo[3.3.1]nonane-9-carboxylate
CID 171946305
9H-fluoren-9-ylmethyl 7-(2-fluoro-6-methoxybenzoyl)-3-oxa-9-azabicyclo[3.3.1]nonane-9-carboxylate
CID 171947299
benzyl 7-(2-quinolin-8-ylacetyl)-3-oxa-9-azabicyclo[3.3.1]nonane-9-carboxylate
CID 171948633

Frequently Asked Questions

What is the IUPAC name of 9H-fluoren-9-ylmethyl 7-(quinoline-8-carbonyl)-3-oxa-9-azabicyclo[3.3.1]nonane-9-carboxylate?
The IUPAC name of 9H-fluoren-9-ylmethyl 7-(quinoline-8-carbonyl)-3-oxa-9-azabicyclo[3.3.1]nonane-9-carboxylate (CID 171942022) is 9H-fluoren-9-ylmethyl 7-(quinoline-8-carbonyl)-3-oxa-9-azabicyclo[3.3.1]nonane-9-carboxylate.
What is the SMILES notation for 9H-fluoren-9-ylmethyl 7-(quinoline-8-carbonyl)-3-oxa-9-azabicyclo[3.3.1]nonane-9-carboxylate?
The canonical SMILES for 9H-fluoren-9-ylmethyl 7-(quinoline-8-carbonyl)-3-oxa-9-azabicyclo[3.3.1]nonane-9-carboxylate is O=C(c1cccc2cccnc12)C1CC2COCC(C1)N2C(=O)OCC1c2ccccc2-c2ccccc21.
What is the InChIKey of 9H-fluoren-9-ylmethyl 7-(quinoline-8-carbonyl)-3-oxa-9-azabicyclo[3.3.1]nonane-9-carboxylate?
The InChIKey is GBVABNWLUORVSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H28N2O4/c35-31(28-13-5-7-20-8-6-14-33-30(20)28)21-15-22-17-37-18-23(16-21)34(22)32(36)38-19-29-26-11-3-1-9-24(26)25-10-2-4-12-27(25)29/h1-14,21-23,29H,15-19H2.
What are the key properties of 9H-fluoren-9-ylmethyl 7-(quinoline-8-carbonyl)-3-oxa-9-azabicyclo[3.3.1]nonane-9-carboxylate?
9H-fluoren-9-ylmethyl 7-(quinoline-8-carbonyl)-3-oxa-9-azabicyclo[3.3.1]nonane-9-carboxylate has a molecular weight of 504.59 g/mol, XLogP of 5.85, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9H-fluoren-9-ylmethyl 7-(quinoline-8-carbonyl)-3-oxa-9-azabicyclo[3.3.1]nonane-9-carboxylate is sourced from PubChem (CID 171942022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).